SCHEMBL9251651

SCHEMBL9251651

CCC(C)(C=C(Cl)Cl)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ESR1 P03372 4/20 0.32
▸ ESR2 Q92731 3/20 0.32
▸ AR P10275 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6797392 0.76 TSHR (0.46) TSHRHPGDNPC1RAB9AMAPT
SCHEMBL9687859 0.76 TSHR (0.46) TSHRHPGDNPC1RAB9AMAPT
SCHEMBL9250737 0.76 CASR (0.33) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL14525813 0.75 TSHR (0.44) TSHRHPGDNPC1RAB9AMAPT
SCHEMBL9243122 0.70 TSHR (0.40) TSHRHPGDNPC1RAB9AMAPT
SCHEMBL9250735 0.69 TRPA1 (0.37) MAPTLMNAMEN1KMT2A
SCHEMBL11246058 0.67 TSHR (0.50) TSHRHPGDNPC1RAB9AMAPT
SCHEMBL19130230 0.67 TSHR (0.50) TSHRHPGDNPC1RAB9AMAPT
SCHEMBL9397850 0.67 TSHR (0.50) TSHRHPGDNPC1RAB9AMAPT
SCHEMBL2230579 0.66 TSHR (0.55) TSHRHPGDNPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399284-B1 Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds BAYER AG (DE) 1995-08-02 — — EP disclosed
US-5136114-A PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 — — US disclosed
EP-0399284-A2 Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds BAYER AG (DE) 1990-11-28 — — EP disclosed
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